8-[(butan-2-ylamino)methyl]-4-methyl-7-oxidanyl-3-(phenylmethyl)chromen-2-one hydrochloride

Systemtic Name: 8-[(butan-2-ylamino)methyl]-4-methyl-7-oxidanyl-3-(phenylmethyl)chromen-2-one hydrochloride Openeye Name: 3-benzyl-7-hydroxy-4-methyl-8-[(sec-butylamino)methyl]chromen-2-one hydrochloride CAS Name: 8-[(butan-2-ylamino)methyl]-7-hydroxy-4-methyl-3-(phenylmethyl)-1-benzopyran-2-one hydrochloride IUPAC Name: 3-benzyl-8-[(butan-2-ylamino)methyl]-7-hydroxy-4-methylchromen-2-one hydrochloride Traditional Name: 3-benzyl-7-hydroxy-4-methyl-8-[(sec-butylamino)methyl]coumarin hydrochloride Formula: C22H26ClNO3 MolecularWeight: 387.89974

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)NCC1=C(C=CC2=C1OC(=O)C(=C2C)CC3=CC=CC=C3)O.Cl

Isomeric SMILES

CCC(C)NCC1=C(C=CC2=C1OC(=O)C(=C2C)CC3=CC=CC=C3)O.Cl

InChI

InChI=1S/C22H25NO3.ClH/c1-4-14(2)23-13-19-20(24)11-10-17-15(3)18(22(25)26-21(17)19)12-16-8-6-5-7-9-16;/h5-11,14,23-24H,4,12-13H2,1-3H3;1H